benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium

C16H18Cl2NO+ — CID 6943185

IUPACbenzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium
SMILESOCC[NH+](Cc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-6-14(16(18)10-15)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2/p+1
InChIKeyCLOAXCIPFMCRNI-UHFFFAOYSA-O
MW311.23 g/mol
LogP2.57
Rot. Bonds6

About benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium

benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium (PubChem CID 6943185) has the molecular formula C16H18Cl2NO+ and a molecular weight of 311.23 g/mol. Its IUPAC name is benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebenzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium
PubChem CID6943185
Molecular FormulaC16H18Cl2NO+
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Namebenzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium
SMILESOCC[NH+](Cc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c17-15-7-6-14(16(18)10-15)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2/p+1
InChIKeyCLOAXCIPFMCRNI-UHFFFAOYSA-O
XLogP2.57
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
CID 2699320
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 60798840
4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium
CID 8860257
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
benzyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-ethylazanium
CID 7157672
N-benzyl-2-chloro-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 63389500
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium?
The IUPAC name of benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium (CID 6943185) is benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium.
What is the SMILES notation for benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium?
The canonical SMILES for benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium is OCC[NH+](Cc1ccccc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium?
The InChIKey is CLOAXCIPFMCRNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17Cl2NO/c17-15-7-6-14(16(18)10-15)12-19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2/p+1.
What are the key properties of benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium?
benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium has a molecular weight of 311.23 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2,4-dichlorophenyl)methyl]-(2-hydroxyethyl)azanium is sourced from PubChem (CID 6943185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).